SCHEMBL3886249

SCHEMBL3886249

Cc1cc(NCCCO)c2c(sc3ccccc32)c1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
APP P05067 4/20 0.39
CHRM2 P08172 2/20 0.39
HTR1A P08908 2/20 0.39
ADRA2A P08913 2/20 0.39
CHRM1 P11229 2/20 0.39
TBXA2R P21731 2/20 0.39
SLC6A2 P23975 2/20 0.39
APEX1 P27695 2/20 0.39
SLC6A4 P31645 2/20 0.39
ADRA1A P35348 2/20 0.39
OPRM1 P35372 2/20 0.39
DRD3 P35462 2/20 0.39
SLC6A3 Q01959 2/20 0.39
KCNH2 Q12809 2/20 0.39
HRH3 Q9Y5N1 2/20 0.39
ADORA3 P0DMS8 1/20 0.39
MAOA P21397 1/20 0.39
DRD1 P21728 1/20 0.39
ALDH1A1 P00352 3/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3878069 0.93 CYP2C19 (0.40) MAPTAPPCHRM2HTR1AADRA2A
SCHEMBL3876862 0.91 MAPT (0.39) MAPTAPPCHRM2HTR1AADRA2A
SCHEMBL3885255 0.84 MAPT (0.40) MAPTAPPCHRM2HTR1AADRA2A
SCHEMBL3879167 0.83 CYP2C19 (0.40) MAPTAPPCHRM2HTR1AADRA2A
SCHEMBL3880326 0.80 APP (0.49) MAPTAPPCHRM2HTR1AADRA2A
SCHEMBL3876210 0.79 APP (0.43) MAPTAPPCHRM2HTR1AADRA2A
SCHEMBL3887742 0.75 ALDH1A1 (0.47) MAPTMAOAALDH1A1POLBLMNA
SCHEMBL3878129 0.74 KDM4E (0.46) MAPTKCNH2ALDH1A1POLBCYP3A4
SCHEMBL3872796 0.74 ALDH1A1 (0.52) MAPTAPPALDH1A1CYP1A2CYP3A4
SCHEMBL3886481 0.74 MAPT (0.40) MAPTAPPCHRM2HTR1AADRA2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7331997-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-02-19 US claimed
US-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-10-06 US claimed
US-7491245-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2009-02-17 US disclosed
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof GLENN ROBERT W JR 2008-05-01 US disclosed
US-7331997-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-02-19 US disclosed
EP-1735059-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2006-12-27 EP disclosed
WO-2005099656-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-10-27 WO disclosed
US-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-10-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, TUBB6 MAPT 420/4885APP 2070/4885CHRM2 3171/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 MAPT 420/4885APP 2070/4885CHRM2 3171/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.